Compound Detail
CHEMBL3198723
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Basic Information
| ChEMBL ID | CHEMBL3198723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZNZICJJWYAHRZ-CVKSISIWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.74
ALogP
5
HBA
3
HBD
91.2
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.57
IC50 2 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.71 | 5.605 | 1970.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.57 | 5.57 | 2668.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.51 | 5.51 | 3077.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1970.0 | nM | 5.71 | PUBCHEM_BIOASSAY: HTS Counterscreen for Detection of Compound Cytotoxicity in MI... | - |
| Unchecked | EC50 | = | 2668.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 3077.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 3140.0 | nM | 5.5 | PUBCHEM_BIOASSAY: HCS for Compounds that Down-Regulate Insulin Promoter Activity... | - |
Data from ChEMBL 36 via Core Engine